Input 11-silicon_force.03-nosym.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 3.680000000000000e-10 | 0.000000000000000e+00 | PASS |
| Force Ion-ion | -3.572645120000000e-01 | -3.572645120000000e-01 | 1.790000000000000e-08 | 0.000000000000000e+00 | PASS |
| Force Local | 3.521403560000000e-01 | 3.521402600000000e-01 | 1.760000000000000e-07 | 9.600000000498099e-08 | PASS |
| Force NL | -7.940101889999999e-02 | -7.940098980000000e-02 | 3.200000000000000e-08 | -2.909999999300972e-08 | PASS |
| Force SCF | -1.315304570000000e-10 | -5.960999440000001e-10 | 5.110000000000000e-10 | 4.645694870000001e-10 | PASS |
| Force NLCC | 4.763318990000000e-03 | 4.763317570000001e-03 | 1.560000000000000e-09 | 1.419999999530130e-09 | PASS |
| Force 1 (x) | -7.970117020000000e-02 | -7.970117590000000e-02 | 6.270000000000000e-09 | 5.699999999775329e-09 | PASS |
| Force 1 (y) | -9.836805140000000e-02 | -9.836805310000001e-02 | 4.920000000000000e-09 | 1.700000001880753e-09 | PASS |
| Force 1 (z) | -4.078776650000000e-02 | -4.078776340000000e-02 | 3.410000000000000e-09 | -3.099999999756076e-09 | PASS |
| Force 2 (x) | 6.445267170000000e-03 | 6.445254650000000e-03 | 1.380000000000000e-08 | 1.252000000027953e-08 | PASS |
| Force 2 (y) | 3.848252710000000e-03 | 3.848248040000000e-03 | 5.130000000000000e-09 | 4.669999999987878e-09 | PASS |
| Force 2 (z) | -1.012131440000000e-04 | -1.012120340000000e-04 | 1.220000000000000e-09 | -1.109999999996335e-09 | PASS |
| Force 3 (x) | 4.745202770000000e-03 | 4.745180319999999e-03 | 2.470000000000000e-08 | 2.245000000049985e-08 | PASS |
| Force 3 (y) | -3.097492840000000e-03 | -3.097480900000000e-03 | 1.310000000000000e-08 | -1.193999999999501e-08 | PASS |
| Force 3 (z) | 2.981098890000000e-03 | 2.981107500000000e-03 | 9.480000000000000e-09 | -8.609999999856927e-09 | PASS |
| Force 4 (x) | -7.101481880000000e-03 | -7.101440000000001e-03 | 3.550000000000000e-07 | -4.187999999918923e-08 | PASS |
| Force 4 (y) | 5.100747600000000e-03 | 5.100729830000000e-03 | 1.960000000000000e-08 | 1.777000000011825e-08 | PASS |
| Force 4 (z) | -2.290215850000000e-03 | -2.290206100000000e-03 | 1.070000000000000e-08 | -9.749999999638520e-09 | PASS |
| Force 5 (x) | 5.637552360000000e-02 | 5.637551670000000e-02 | 7.590000000000000e-09 | 6.900000001919260e-09 | PASS |
| Force 5 (y) | 1.471462410000000e-01 | 1.471462550000000e-01 | 1.540000000000000e-08 | -1.399999999263102e-08 | PASS |
| Force 5 (z) | 6.352025590000000e-02 | 6.352027280000000e-02 | 1.860000000000000e-08 | -1.689999999665570e-08 | PASS |
| Force 6 (x) | -1.345620760000000e-02 | -1.345620240000000e-02 | 5.670000000000000e-09 | -5.200000000038507e-09 | PASS |
| Force 6 (y) | 6.291754840000000e-04 | 6.291771450000000e-04 | 1.830000000000000e-09 | -1.661000000085025e-09 | PASS |
| Force 6 (z) | 4.477718580000000e-04 | 4.477447450000000e-04 | 2.980000000000000e-08 | 2.711299999997360e-08 | PASS |
| Force 7 (x) | 1.797430310000000e-02 | 1.797432180000000e-02 | 2.060000000000000e-08 | -1.870000000334104e-08 | PASS |
| Force 7 (y) | -3.544034200000000e-02 | -3.544033750000000e-02 | 4.950000000000000e-09 | -4.499999997631399e-09 | PASS |
| Force 7 (z) | 2.815431280000000e-02 | 2.815431725000000e-02 | 4.890000000000000e-09 | -4.450000000433274e-09 | PASS |
| Force 8 (x) | 1.471856310000000e-02 | 1.471854975000000e-02 | 1.470000000000000e-08 | 1.334999999783038e-08 | PASS |
| Force 8 (y) | -1.981853060000000e-02 | -1.981853850000000e-02 | 8.690000000000000e-09 | 7.900000001392904e-09 | PASS |
| Force 8 (z) | -5.192424400000000e-02 | -5.192426080000000e-02 | 1.850000000000000e-08 | 1.680000000225945e-08 | PASS |